Crystallography Open Database

Information card for entry 1568208

Preview

Coordinates	1568208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H53 Fe N3 Si4
Calculated formula	C24 H53 Fe N3 Si4
Title of publication	Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds.
Authors of publication	Stroek, Wowa; Albrecht, Martin
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	11
Pages of publication	2849 - 2859
a	18.67067 ± 0.00017 Å
b	18.94109 ± 0.00018 Å
c	18.90816 ± 0.00017 Å
α	90°
β	94.3084 ± 0.0008°
γ	90°
Cell volume	6667.84 ± 0.11 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282297 (current)	2023-04-04	cif/ Updating files of 1568208 Original log message: Adding full bibliography for 1568208.cif.	1568208.cif
280056	2022-12-29	cif/ Adding structures of 1568208 via cif-deposit CGI script.	1568208.cif